5-(2-aminoethyl)-1-(1-propylimidazol-2-yl)octan-2-one

C16H29N3O — CID 116582877

IUPAC5-(2-aminoethyl)-1-(1-propylimidazol-2-yl)octan-2-one
SMILESCCCC(CCN)CCC(=O)Cc1nccn1CCC
InChIInChI=1S/C16H29N3O/c1-3-5-14(8-9-17)6-7-15(20)13-16-18-10-12-19(16)11-4-2/h10,12,14H,3-9,11,13,17H2,1-2H3
InChIKeyGYJOHUCGSVHGAC-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.95
Rot. Bonds11

About 5-(2-aminoethyl)-1-(1-propylimidazol-2-yl)octan-2-one

5-(2-aminoethyl)-1-(1-propylimidazol-2-yl)octan-2-one (PubChem CID 116582877) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 5-(2-aminoethyl)-1-(1-propylimidazol-2-yl)octan-2-one.

Molecular Properties

Compound Name5-(2-aminoethyl)-1-(1-propylimidazol-2-yl)octan-2-one
PubChem CID116582877
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name5-(2-aminoethyl)-1-(1-propylimidazol-2-yl)octan-2-one
SMILESCCCC(CCN)CCC(=O)Cc1nccn1CCC
InChIInChI=1S/C16H29N3O/c1-3-5-14(8-9-17)6-7-15(20)13-16-18-10-12-19(16)11-4-2/h10,12,14H,3-9,11,13,17H2,1-2H3
InChIKeyGYJOHUCGSVHGAC-UHFFFAOYSA-N
XLogP2.95
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(2-aminoethyl)-1-(1-propylimidazol-2-yl)octan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-3-methyl-1-(1-propylimidazol-2-yl)pentan-2-one
CID 116594917
5-amino-5-phenyl-1-(1-propylimidazol-2-yl)pentan-2-one
CID 116570854
5-amino-5-methyl-1-(1-propylimidazol-2-yl)hexan-2-one
CID 116571370
4-(dimethylamino)-1-(1-propylimidazol-2-yl)butan-2-one
CID 115345722
1-(2-aminoethoxy)-3-(1-propylimidazol-2-yl)propan-2-one
CID 116590952
7-amino-5-methyl-1-(1-methylimidazol-2-yl)heptan-2-one
CID 116581679
5-(2-aminoethyl)-1-(1-methylpyrazol-4-yl)octan-2-one
CID 116582922
3-amino-1-(1-propylimidazol-2-yl)pentan-2-one
CID 116584036
1-(2-methylpropylsulfanyl)-3-(1-propylimidazol-2-yl)propan-2-one
CID 79744194
1-butan-2-ylsulfanyl-3-(1-propylimidazol-2-yl)propan-2-one
CID 79744286
3-methoxy-1-(1-propylimidazol-2-yl)hexan-2-one
CID 116708178
4-amino-3-methyl-1-(1-propylimidazol-2-yl)pentan-2-one
CID 116612267

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-1-(1-propylimidazol-2-yl)octan-2-one?
The IUPAC name of 5-(2-aminoethyl)-1-(1-propylimidazol-2-yl)octan-2-one (CID 116582877) is 5-(2-aminoethyl)-1-(1-propylimidazol-2-yl)octan-2-one.
What is the SMILES notation for 5-(2-aminoethyl)-1-(1-propylimidazol-2-yl)octan-2-one?
The canonical SMILES for 5-(2-aminoethyl)-1-(1-propylimidazol-2-yl)octan-2-one is CCCC(CCN)CCC(=O)Cc1nccn1CCC.
What is the InChIKey of 5-(2-aminoethyl)-1-(1-propylimidazol-2-yl)octan-2-one?
The InChIKey is GYJOHUCGSVHGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-3-5-14(8-9-17)6-7-15(20)13-16-18-10-12-19(16)11-4-2/h10,12,14H,3-9,11,13,17H2,1-2H3.
What are the key properties of 5-(2-aminoethyl)-1-(1-propylimidazol-2-yl)octan-2-one?
5-(2-aminoethyl)-1-(1-propylimidazol-2-yl)octan-2-one has a molecular weight of 279.43 g/mol, XLogP of 2.95, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-1-(1-propylimidazol-2-yl)octan-2-one is sourced from PubChem (CID 116582877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).